N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

C9H17N3O2 — CID 18715458

IUPACN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C9H17N3O2/c1-8(13)10-7-9(14)12-5-3-11(2)4-6-12/h3-7H2,1-2H3,(H,10,13)
InChIKeyIIQYBIPMCFFUNX-UHFFFAOYSA-N
MW199.25 g/mol
LogP-1.10
Rot. Bonds2

About N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (PubChem CID 18715458) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
PubChem CID18715458
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCN(C)CC1
InChIInChI=1S/C9H17N3O2/c1-8(13)10-7-9(14)12-5-3-11(2)4-6-12/h3-7H2,1-2H3,(H,10,13)
InChIKeyIIQYBIPMCFFUNX-UHFFFAOYSA-N
XLogP-1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Piperazinedione
CID 7817
1-Ethyl-2,3-piperazinedione
CID 108812
Fibrins
CID 439199
N,N-dimethyl-2-(piperazin-1-yl)acetamide
CID 2758642
Piperazin-2-one
CID 231360
N-Acetylglycinamide
CID 28326
1-Acetylpiperazine
CID 83795
4-Methylpiperazine-2,6-dione
CID 124723
N-isopropyl-1-piperazineacetamide
CID 100826
N-[2-(4-propanoylpiperazin-1-yl)ethyl]propanamide
CID 718529
2,3-Piperazinedione, 1-methyl-
CID 3042433
Acetamide, N-(2-diethylaminoethyl)-
CID 44428

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide (CID 18715458) is N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is IIQYBIPMCFFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-8(13)10-7-9(14)12-5-3-11(2)4-6-12/h3-7H2,1-2H3,(H,10,13).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide?
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 199.25 g/mol, XLogP of -1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 18715458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).